[2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol

C8H15NO2 — CID 123659179

IUPAC[2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESC=CC1NC(CO)CC1CO
InChIInChI=1S/C8H15NO2/c1-2-8-6(4-10)3-7(5-11)9-8/h2,6-11H,1,3-5H2
InChIKeyLMMFRQPWQOVELY-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.50
Rot. Bonds3

About [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol

[2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 123659179) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
PubChem CID123659179
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESC=CC1NC(CO)CC1CO
InChIInChI=1S/C8H15NO2/c1-2-8-6(4-10)3-7(5-11)9-8/h2,6-11H,1,3-5H2
InChIKeyLMMFRQPWQOVELY-UHFFFAOYSA-N
XLogP-0.50
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol (CID 123659179) is [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol is C=CC1NC(CO)CC1CO.
What is the InChIKey of [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is LMMFRQPWQOVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-8-6(4-10)3-7(5-11)9-8/h2,6-11H,1,3-5H2.
What are the key properties of [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol?
[2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 157.21 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethenyl-5-(hydroxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 123659179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).